| Crystal data |
| Chemical formula |
C8H11NO2S |
|
M
r
|
185.24 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
293 |
|
a, b, c (Å) |
7.664 (3), 9.876 (3), 13.018 (5) |
| α, β, γ (°) |
91.602 (12), 104.301 (13), 101.729 (13) |
|
V (Å3) |
931.7 (6) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.31 |
| Crystal size (mm) |
0.48 × 0.35 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (SADABS; Sheldrick, 1996 ▸) |
|
T
min, T
max
|
0.565, 0.747 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
27589, 5636, 3845 |
|
R
int
|
0.062 |
| (sin θ/λ)max (Å−1) |
0.714 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.057, 0.168, 1.03 |
| No. of reflections |
5636 |
| No. of parameters |
237 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.62, −0.39 |
